Wmewdreinnytslihslieesqnqqekneqelleldkwaslwnwf

Structural Information

Molecular Formula

C₂₆₃H₃₈₁N₆₇O₈₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CC=CC=C9)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C263H381N67O82S/c1-22-129(16)213(328-251(400)174(95-127(12)13)307-256(405)192(120-333)325-243(392)181(104-141-117-278-122-285-141)320-259(408)215(131(18)24-3)329-252(401)175(96-128(14)15)308-257(406)193(121-334)326-261(410)216(133(20)335)330-253(402)176(97-135-58-60-142(336)61-59-135)309-246(395)184(107-200(273)343)317-248(397)186(109-202(275)345)321-260(409)214(130(17)23-2)327-234(383)168(73-85-210(360)361)297-219(368)156(57-42-89-279-263(276)277)290-250(399)188(111-212(364)365)319-241(390)178(101-138-114-282-151-52-35-30-47-145(138)151)311-231(380)164(69-81-206(352)353)296-233(382)169(86-90-413-21)287-218(367)148(266)99-136-112-280-149-50-33-28-45-143(136)149)258(407)302-167(72-84-209(358)359)227(376)295-166(71-83-208(356)357)232(381)324-191(119-332)254(403)301-160(65-77-197(270)340)228(377)315-183(106-199(272)342)244(393)298-159(64-76-196(269)339)224(373)291-157(62-74-194(267)337)222(371)293-161(66-78-203(346)347)225(374)288-154(55-38-40-87-264)221(370)314-182(105-198(271)341)245(394)300-162(67-79-204(348)349)226(375)292-158(63-75-195(268)338)223(372)294-163(68-80-205(350)351)229(378)303-171(92-124(6)7)237(386)305-170(91-123(4)5)236(385)299-165(70-82-207(354)355)230(379)304-172(93-125(8)9)239(388)318-187(110-211(362)363)249(398)289-155(56-39-41-88-265)220(369)310-177(100-137-113-281-150-51-34-29-46-144(137)150)235(384)286-132(19)217(366)323-190(118-331)255(404)306-173(94-126(10)11)238(387)312-179(102-139-115-283-152-53-36-31-48-146(139)152)240(389)316-185(108-201(274)344)247(396)313-180(103-140-116-284-153-54-37-32-49-147(140)153)242(391)322-189(262(411)412)98-134-43-26-25-27-44-134/h25-37,43-54,58-61,112-117,122-133,148,154-193,213-216,280-284,331-336H,22-24,38-42,55-57,62-111,118-121,264-266H2,1-21H3,(H2,267,337)(H2,268,338)(H2,269,339)(H2,270,340)(H2,271,341)(H2,272,342)(H2,273,343)(H2,274,344)(H2,275,345)(H,278,285)(H,286,384)(H,287,367)(H,288,374)(H,289,398)(H,290,399)(H,291,373)(H,292,375)(H,293,371)(H,294,372)(H,295,376)(H,296,382)(H,297,368)(H,298,393)(H,299,385)(H,300,394)(H,301,403)(H,302,407)(H,303,378)(H,304,379)(H,305,386)(H,306,404)(H,307,405)(H,308,406)(H,309,395)(H,310,369)(H,311,380)(H,312,387)(H,313,396)(H,314,370)(H,315,377)(H,316,389)(H,317,397)(H,318,388)(H,319,390)(H,320,408)(H,321,409)(H,322,391)(H,323,366)(H,324,381)(H,325,392)(H,326,410)(H,327,383)(H,328,400)(H,329,401)(H,330,402)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,411,412)(H4,276,277,279)/t129-,130-,131-,132-,133+,148-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,213-,214-,215-,216-/m0/s1

InChIKey

WZJNZMLMTNQRRG-VNEVRILJSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71597190